SISSO for ELASTIC CONSTANTS

This notebook reads results obtained by the SISSO models availbles in data/fromHPRC/ and plot SISSO calculated vs DFT values of the elastic constants in the training dataset, using all data, a CV folds 5 and a CV folds 10

Functionm to retrieve feature frequency

only 3D

5 fold CVs

plots for parity plot, error distribution and feature frequency for the 3D model

10 CVs fold

CVs 05 image each loop

same as the previous one but plotting a unique image each case

Paper format 05

plotting each loop for images available in the draft

Paper format CV 10

feature frequency analysis small image

feature frequency image isolated to obatain draf plots

r squared values for the final model

Final result values in RMSE and R^2

r squared values for CV 05

r squared values for CV 10